2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C14H9F3N4O2S MolecularWeight: 354.30707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC(=O)C=C(N3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC(=O)C=C(N3)C(F)(F)F

InChI

InChI=1S/C14H9F3N4O2S/c15-14(16,17)9-5-11(22)21-13(19-9)24-6-10-18-8-4-2-1-3-7(8)12(23)20-10/h1-5H,6H2,(H,18,20,23)(H,19,21,22)